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https://github.com/molstar/molstar/blob/c53b651472c63adaf1115753375bdea6e5b56045/src/mol-model-props/computed/chemistry/valence-model.ts#L40-L67
This affects H-bond calculation, because the ideal d…
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### Description
I just saw that \ch{} for chemistry formula is not working
### (Optional:) Please add any files, screenshots, or other information here.
_No response_
### (Required) What is this i…
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To keep track of improvement suggestions from #1033:
* [x] Pass multiple qubit parameters by default and print a summary table.
* [x] #1662
* [ ] Add a notebook "frontend" that would load the exist…
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Iodine is recovered from seaplant ash right now. Investigate where to get it from instead.
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Mon Sep 30 15:48:59 UTC 2024, there were errors when running autoupdate
Cannot autoupdate workflows/computational-chemistry/gromacs-dctmd, last line of stderr is
bioblend.ConnectionError: Unexpected…
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Flaky tests were detected in [this test run](https://github.com/shiptest-ss13/Shiptest/actions/runs/11601263747/attempts/1). This means that there was a failure that was cleared when the tests were …
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See https://github.com/space-wizards/space-station-14/pull/27317#issuecomment-2079660444
Just copy ss13 a wee bit.
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[eChem: A notebook exploration of quantum chemistry](https://chemrxiv.org/engage/chemrxiv/article-details/62d1764827b1e447bb3c47b1)
[AutoSolvate](https://aip.scitation.org/doi/abs/10.1063/5.0084833)
…
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This is for the AI/ML emulator for chemistry. We need the capability to output chemical tracers before and after different chemical processes to generate the training data.
A preliminary code modi…
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**Submitting author:** @silkemaes (Silke Maes)
**Repository:** https://github.com/silkemaes/MACE
**Branch with paper.md** (empty if default branch): JOSS
**Version:** v1.0.0
**Editor:** @JBorrow
**Rev…